(2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid

C11H19NO3 — CID 130184682

IUPAC(2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC[C@@]1(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-7-5-6-11(12,4)9(14)15/h5-7H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyQXCDDMXXCWUHNF-NSHDSACASA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds1

About (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid

(2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 130184682) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID130184682
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC[C@@]1(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-7-5-6-11(12,4)9(14)15/h5-7H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyQXCDDMXXCWUHNF-NSHDSACASA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid (CID 130184682) is (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid is CC(C)(C)C(=O)N1CCC[C@@]1(C)C(=O)O.
What is the InChIKey of (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is QXCDDMXXCWUHNF-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)8(13)12-7-5-6-11(12,4)9(14)15/h5-7H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid?
(2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethylpropanoyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130184682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).